2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide

C12H21N3O — CID 110666460

IUPAC2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1cnc(C)[nH]1
InChIInChI=1S/C12H21N3O/c1-4-10(5-2)12(16)13-7-6-11-8-14-9(3)15-11/h8,10H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyZXNCXEZKGCHUSR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds6

About 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide

2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide (PubChem CID 110666460) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
PubChem CID110666460
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1cnc(C)[nH]1
InChIInChI=1S/C12H21N3O/c1-4-10(5-2)12(16)13-7-6-11-8-14-9(3)15-11/h8,10H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyZXNCXEZKGCHUSR-UHFFFAOYSA-N
XLogP1.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[2-(2-methyl-1H-imidazol-5-yl)ethyl]urea
CID 110666641
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666505
2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
CID 110731759
3-(dimethylamino)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666436
2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666512
2-(4-methoxyphenyl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110666491
3-acetamido-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666440
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110666431
N,N-diethyl-3-(2-methyl-1H-imidazol-5-yl)propanamide
CID 173265047
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-2-(1-methylindol-3-yl)propanamide
CID 166306206
N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide (CID 110666460) is 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide is CCC(CC)C(=O)NCCc1cnc(C)[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide?
The InChIKey is ZXNCXEZKGCHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-10(5-2)12(16)13-7-6-11-8-14-9(3)15-11/h8,10H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide?
2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 110666460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).